⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23149820 | 0.45 | — | — | |
| SCHEMBL23149826 | 0.41 | — | — | |
| Charcoal, Activated SCHEMBL29414080 | 0.41 | — | — | |
| Charcoal, Activated SCHEMBL284156 | 0.33 | — | — | |
| Hydrogen Sulfide SCHEMBL15941638 | 0.33 | — | — | |
| Charcoal, Activated SCHEMBL5446189 | 0.33 | — | — | |
| SCHEMBL6559802 | 0.33 | — | — | |
| Methane SCHEMBL23044967 | 0.33 | — | — | |
| Charcoal, Activated SCHEMBL9309171 | 0.33 | — | — | |
| Charcoal, Activated SCHEMBL8062180 | 0.33 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090186936-A1 | TEA BEVERAGES CONTAINING PROANTHOCYANIDINS | SUNTORY HOLDINGS LIMITED (JP) | 2009-07-23 | — | — | US | disclosed |